3-[[(1Z)-1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino]oxypropanoic acid

Systemtic Name: 3-[[(1Z)-1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino]oxypropanoic acid Openeye Name: 3-[[(1Z)-1-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino]oxypropanoic acid CAS Name: 3-[[(1Z)-1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)dodecyl]amino]oxypropanoic acid IUPAC Name: 3-[[(1Z)-1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)dodecyl]amino]oxypropanoic acid Traditional Name: 3-[[(1Z)-1-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino]oxypropionic acid Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=C1C=C(C=CC1=O)C)NOCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC/C(=C/1\C=C(C=CC1=O)C)/NOCCC(=O)O

InChI

InChI=1S/C22H35NO4/c1-3-4-5-6-7-8-9-10-11-12-20(23-27-16-15-22(25)26)19-17-18(2)13-14-21(19)24/h13-14,17,23H,3-12,15-16H2,1-2H3,(H,25,26)/b20-19-